Common name
2-chloro-N-(2,3-dimethylphenyl)acetamide
IUPAC name
2-chloro-N-(2,3-dimethylphenyl)acetamide
SMILES
c1(c(c(ccc1)C)C)NC(=O)CCl
Common name
2-chloro-N-(2,3-dimethylphenyl)acetamide
IUPAC name
2-chloro-N-(2,3-dimethylphenyl)acetamide
SMILES
c1(c(c(ccc1)C)C)NC(=O)CCl
INCHI
InChI=1S/C10H12ClNO/c1-7-4-3-5-9(8(7)2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
FORMULA
C10H12ClNO
Common name
2-chloro-N-(2,3-dimethylphenyl)acetamide
IUPAC name
2-chloro-N-(2,3-dimethylphenyl)acetamide
Molecular weight
197.661
clogP
2.838
clogS
-3.743
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
2
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2upj_ligand_3_136.mol2 | 2upj | 0.735849 | -6.93 | CC(=O)Nc1cccc(c1)C | 11 |
| 2upj_ligand_4_285.mol2 | 2upj | 0.689655 | -7.04 | C(C)C(=O)Nc1cccc(c1)C | 12 |
| 4xcu_ligand_2_0.mol2 | 4xcu | 0.689655 | -6.46 | O=C(Nc1cccc(c1)C)CC | 12 |
| 3daj_ligand_3_33.mol2 | 3daj | 0.639344 | -6.44 | c1(cccc(c1)CO)NC(=O)C | 12 |
| 4dhm_ligand_3_19.mol2 | 4dhm | 0.639344 | -5.81 | c1(cc(ccc1)C(F)(F)F)NC(=O)C | 14 |
| 4fsl_ligand_1_2.mol2 | 4fsl | 0.634921 | -7.47 | C(=O)(Nc1c(cccc1C)Cl)C | 12 |
| 4xcu_ligand_3_0.mol2 | 4xcu | 0.634921 | -6.53 | O=C(Nc1cccc(c1N)C)CC | 13 |
| 2oo8_ligand_2_25.mol2 | 2oo8 | 0.622642 | -6.95 | c1(cc(ccc1)NC=O)C | 10 |
187 ,
19
